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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339531

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.78
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.78
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.74
1LPTRANYLCYPROMINEA,B1OJB0.76
7912-PHENYLMALONIC ACIDA1O4P0.78
SMN(S)-MANDELIC ACIDA1MDL0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS20.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.72
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS10.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.74
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.76
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.76
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.88
BZSL-BENZYLSUCCINIC ACIDA1HYT0.88
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.88
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.77
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.81
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
BFLA,B1Q4G0.78
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.81
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.8
HCIHYDROCINNAMIC ACIDA,B1TOG0.8
HCIHYDROCINNAMIC ACIDA,B1V2F0.8
HCIHYDROCINNAMIC ACIDA,B1AHX0.8
HCIHYDROCINNAMIC ACIDA1TOI0.8
HCIHYDROCINNAMIC ACIDA,B1AY80.8
HCIHYDROCINNAMIC ACIDA1TOJ0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.82
FLPFLURBIPROFENA,B,C,D3PGH0.76
FLPFLURBIPROFENA,B1CQE0.76
FLPFLURBIPROFENA,B1EQH0.76
FLPFLURBIPROFENA,B2AYL0.76
FLPFLURBIPROFENA1DVT0.76
FLPFLURBIPROFENA1R9O0.76
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.81
IBPIBUPROFENA3FKX0.82
IBPIBUPROFENA,B2BXG0.82
IBPIBUPROFENA,B1EQG0.82
IBPIBUPROFENA,B,C2WD90.82
IBPIBUPROFENA2PWS0.82
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.7
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.79
3PL3-PHENYLPROPANALE1Y3G0.73
OX1H,Y1LO20.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
PHTPHTHALIC ACIDA,B,C2B7P0.73
PHTPHTHALIC ACIDA3C2V0.73
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.73
PHTPHTHALIC ACIDA,B3C2R0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.83
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.83
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81
TRZTRAZEOLIDEA1C120.75
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.72